3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(4-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(4-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 3-(p-toluoylthiocarbamoylamino)benzoate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c1-10-5-7-11(8-6-10)14(19)18-16(22)17-13-4-2-3-12(9-13)15(20)21/h2-9H,1H3,(H,20,21)(H2,17,18,19,22)/p-1